NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
452098 |
2rpz   |
11061 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2rpz
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 223
_Stereo_assign_list.Swap_count 1
_Stereo_assign_list.Swap_percentage 0.4
_Stereo_assign_list.Deassign_count 3
_Stereo_assign_list.Deassign_percentage 1.3
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 25.006
_Stereo_assign_list.Total_e_high_states 379.681
_Stereo_assign_list.Crit_abs_e_diff 0.100
_Stereo_assign_list.Crit_rel_e_diff 0.000
_Stereo_assign_list.Crit_mdls_favor_pct 75.0
_Stereo_assign_list.Crit_sing_mdl_viol 1.000
_Stereo_assign_list.Crit_multi_mdl_viol 0.500
_Stereo_assign_list.Crit_multi_mdl_pct 50.0
_Stereo_assign_list.Details
;
Description of the tags in this list:
* 1 * NMR-STAR 3 administrative tag
* 2 * NMR-STAR 3 administrative tag
* 3 * NMR-STAR 3 administrative tag
* 4 * Number of triplets (atom-group pair and pseudo)
* 5 * Number of triplets that were swapped
* 6 * Percentage of triplets that were swapped
* 7 * Number of deassigned triplets
* 8 * Percentage of deassigned triplets
* 9 * Number of models in ensemble
* 10 * Energy of the states with the lower energies summed for all triplets (Ang.**2)
* 11 * Energy of the states with the higher energies summed for all triplets (Ang.**2)
* 12 * Item 9-8
* 13 * Criterium for swapping assignment on the absolute energy difference (Ang.**2)
* 14 * Criterium for swapping assignment on the relative energy difference (Ang.**2)
* 15 * Criterium for swapping assignment on the percentage of models favoring a swap
* 16 * Criterium for deassignment on a single model violation (Ang.)
* 17 * Criterium for deassignment on a multiple model violation (Ang.)
* 18 * Criterium for deassignment on a percentage of models
* 19 * this tag
Description of the tags in the table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Name of pseudoatom representing the triplet
* 5 * Ordinal number of assignment (1 is assigned first)
* 6 * 'yes' if assignment state is swapped with respect to restraint file
* 7 * Percentage of models in which the assignment with the lowest
overall energy is favoured
* 8 * Percentage of difference between lowest and highest overall energy
with respect to the highest overall energy
* 9 * Difference between lowest and highest overall energy
* 10 * Energy of the highest overall energy state (Ang.**2)
* 11 * Energy of the lowest overall energy state (Ang.**2)
* 12 * Number of restraints involved with the triplet. The highest ranking
triplet on this number, is assigned first
* 13 * Number of restraints involved with the triplet that are ambiguous
besides the ambiguity from this triplet
* 14 * 'yes' if restraints included in this triplet are deassigned
* 15 * Maximum unaveraged violation before deassignment (Ang.)
* 16 * Number of violated restraints above threshold for a single model
before deassignment (given by Single_mdl_crit_count)
* 17 * Number of violated restraints above threshold for a multiple models
before deassignment (given by Multi_mdl_crit_count)
* 18 * NMR-STAR 3.0 administrative tag
* 19 * NMR-STAR 3.0 administrative tag
;
loop_
_Stereo_assign.Entity_assembly_ID
_Stereo_assign.Comp_index_ID
_Stereo_assign.Comp_ID
_Stereo_assign.Pseudo_Atom_ID
_Stereo_assign.Num
_Stereo_assign.Swapped
_Stereo_assign.Models_favoring_pct
_Stereo_assign.Energy_difference_pct
_Stereo_assign.Energy_difference
_Stereo_assign.Energy_high_state
_Stereo_assign.Energy_low_state
_Stereo_assign.Constraint_count
_Stereo_assign.Constraint_ambi_count
_Stereo_assign.Deassigned
_Stereo_assign.Violation_max
_Stereo_assign.Single_mdl_crit_count
_Stereo_assign.Multi_mdl_crit_count
1 8 ARG QB 219 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 8 ARG QD 25 no 100.0 100.0 2.358 2.358 0.000 20 6 no 0.023 0 0
1 8 ARG QG 43 no 100.0 100.0 3.818 3.818 0.000 16 1 no 0.023 0 0
1 9 LEU QB 35 no 100.0 100.0 0.552 0.552 0.000 18 4 no 0.050 0 0
1 9 LEU QD 26 no 100.0 0.0 0.000 0.000 0.000 20 8 no 0.031 0 0
1 10 PRO QB 86 no 100.0 100.0 1.398 1.399 0.001 12 2 no 0.030 0 0
1 10 PRO QG 218 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 11 VAL QG 23 no 100.0 0.0 0.000 0.000 0.000 20 4 no 0.019 0 0
1 13 PHE QB 157 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 14 PHE QB 52 no 100.0 100.0 1.468 1.468 0.000 15 4 no 0.012 0 0
1 15 LYS QD 195 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.034 0 0
1 15 LYS QG 194 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.015 0 0
1 16 PHE QB 193 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 18 PHE QB 192 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.004 0 0
1 21 VAL QG 31 no 65.0 47.0 1.460 3.109 1.649 19 9 yes 2.969 13 19
1 22 GLU QG 191 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.068 0 0
1 27 ARG QB 203 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.066 0 0
1 27 ARG QD 202 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.066 0 0
1 27 ARG QG 217 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 29 LYS QE 47 no 100.0 0.0 0.000 0.000 0.000 16 8 no 0.003 0 0
1 29 LYS QG 136 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.003 0 0
1 31 PHE QB 201 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 32 LEU QB 135 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 32 LEU QD 7 no 100.0 0.0 0.000 0.000 0.000 32 14 no 0.007 0 0
1 34 TYR QB 65 no 100.0 100.0 0.935 0.936 0.000 14 2 no 0.007 0 0
1 35 VAL QG 42 no 100.0 0.0 0.000 0.000 0.000 16 0 no 0.017 0 0
1 36 VAL QG 107 no 0.0 0.0 0.000 0.000 0.000 10 0 no 0.027 0 0
1 37 GLU QB 18 no 100.0 100.0 3.580 3.580 0.001 22 8 no 0.031 0 0
1 37 GLU QG 64 no 100.0 0.0 0.000 0.003 0.003 14 2 no 0.068 0 0
1 38 VAL QG 16 no 100.0 0.0 0.000 0.000 0.000 22 4 no 0.038 0 0
1 39 GLN QB 90 no 100.0 99.8 2.685 2.689 0.004 12 3 no 0.074 0 0
1 39 GLN QE 222 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 39 GLN QG 27 no 100.0 100.0 0.895 0.895 0.000 19 3 no 0.014 0 0
1 40 SER QB 78 no 100.0 99.9 2.572 2.576 0.004 13 4 no 0.075 0 0
1 41 LYS QB 216 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 41 LYS QG 190 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 46 GLN QB 134 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 46 GLN QE 215 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 49 GLN QB 189 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.010 0 0
1 49 GLN QE 198 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.002 0 0
1 49 GLN QG 39 no 100.0 100.0 2.058 2.058 0.000 17 2 no 0.005 0 0
1 50 GLY QA 214 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 51 TYR QB 153 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 52 LEU QD 15 no 100.0 0.0 0.000 0.000 0.000 22 2 no 0.007 0 0
1 53 GLU QB 213 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 53 GLU QG 116 no 0.0 0.0 0.000 0.000 0.000 10 4 no 0.005 0 0
1 54 ASP QB 188 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 55 GLU QB 97 no 100.0 100.0 1.888 1.888 0.000 11 2 no 0.002 0 0
1 55 GLU QG 82 no 100.0 100.0 1.844 1.844 0.000 12 0 no 0.001 0 0
1 58 GLY QA 156 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 60 HIS QB 120 no 100.0 100.0 1.112 1.112 0.000 9 0 no 0.040 0 0
1 62 GLU QB 197 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.002 0 0
1 62 GLU QG 70 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.001 0 0
1 63 GLU QB 129 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.001 0 0
1 63 GLU QG 63 no 0.0 0.0 0.000 0.000 0.000 14 2 no 0.030 0 0
1 65 PHE QB 22 no 100.0 100.0 1.055 1.055 0.000 21 6 no 0.019 0 0
1 66 PHE QB 154 no 100.0 100.0 0.679 0.679 0.000 6 1 no 0.000 0 0
1 67 ASN QD 152 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 69 ILE QG 81 no 100.0 100.0 0.727 0.727 0.000 12 0 no 0.000 0 0
1 70 LEU QB 14 no 100.0 100.0 2.268 2.268 0.000 23 7 no 0.012 0 0
1 70 LEU QD 8 no 100.0 100.0 6.784 6.784 0.000 28 7 no 0.029 0 0
1 71 PRO QB 187 no 100.0 100.0 1.204 1.204 0.000 4 0 no 0.000 0 0
1 71 PRO QD 54 no 100.0 100.0 1.892 1.892 0.000 15 5 no 0.017 0 0
1 73 PHE QB 96 no 100.0 100.0 0.320 0.320 0.000 11 2 no 0.011 0 0
1 74 ASP QB 29 no 100.0 98.6 1.241 1.258 0.018 19 7 no 0.160 0 0
1 75 PRO QB 141 no 100.0 99.9 2.341 2.343 0.002 7 0 no 0.088 0 0
1 75 PRO QD 155 no 100.0 100.0 0.564 0.564 0.000 6 2 no 0.000 0 0
1 75 PRO QG 151 no 100.0 99.9 4.288 4.290 0.003 6 0 no 0.095 0 0
1 77 LEU QB 77 no 100.0 100.0 1.304 1.304 0.000 13 3 no 0.000 0 0
1 77 LEU QD 46 no 5.0 0.0 0.000 0.026 0.026 16 8 no 0.236 0 0
1 78 LYS QG 128 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 79 TYR QB 51 no 100.0 100.0 0.570 0.570 0.000 15 4 no 0.000 0 0
1 80 ASN QB 20 no 100.0 100.0 9.594 9.594 0.001 22 10 no 0.031 0 0
1 80 ASN QD 118 no 100.0 99.9 2.238 2.240 0.002 10 8 no 0.074 0 0
1 81 VAL QG 1 no 100.0 100.0 63.464 63.464 0.000 53 12 no 0.037 0 0
1 83 TRP QB 21 no 100.0 100.0 2.757 2.757 0.000 21 6 no 0.010 0 0
1 85 VAL QG 2 no 100.0 100.0 37.267 37.267 0.000 42 8 no 0.013 0 0
1 88 SER QB 119 no 100.0 0.0 0.000 0.000 0.000 10 10 no 0.010 0 0
1 89 PRO QB 92 no 100.0 100.0 1.408 1.408 0.000 12 4 no 0.003 0 0
1 89 PRO QD 79 no 100.0 100.0 0.788 0.788 0.000 13 6 no 0.008 0 0
1 89 PRO QG 76 no 100.0 100.0 1.061 1.061 0.000 13 2 no 0.020 0 0
1 90 CYS QB 44 no 100.0 2.8 0.485 17.393 16.908 16 2 yes 3.720 8 8
1 93 CYS QB 11 no 100.0 99.9 2.484 2.485 0.002 25 11 no 0.051 0 0
1 95 ASP QB 34 no 100.0 100.0 3.804 3.805 0.001 18 2 no 0.031 0 0
1 96 ARG QB 130 no 100.0 100.0 0.768 0.768 0.000 8 3 no 0.000 0 0
1 96 ARG QD 221 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 96 ARG QG 41 no 100.0 100.0 1.781 1.781 0.001 17 4 no 0.055 0 0
1 97 ILE QG 61 no 100.0 100.0 1.246 1.246 0.000 14 1 no 0.005 0 0
1 98 LEU QB 94 no 100.0 100.0 2.658 2.659 0.000 11 0 no 0.008 0 0
1 98 LEU QD 117 no 100.0 0.0 0.000 0.001 0.001 10 6 no 0.067 0 0
1 99 LYS QB 150 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.004 0 0
1 99 LYS QD 186 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.170 0 0
1 99 LYS QG 106 no 100.0 0.0 0.000 0.003 0.003 10 0 no 0.224 0 0
1 101 LEU QB 62 no 100.0 100.0 2.415 2.415 0.000 14 2 no 0.027 0 0
1 101 LEU QD 19 no 100.0 0.0 0.000 0.000 0.000 22 10 no 0.005 0 0
1 102 SER QB 185 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.072 0 0
1 103 LYS QG 49 no 100.0 100.0 2.075 2.075 0.000 15 0 no 0.018 0 0
1 105 LYS QB 149 no 100.0 100.0 1.167 1.167 0.000 6 0 no 0.000 0 0
1 105 LYS QG 127 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.001 0 0
1 106 ASN QB 73 no 100.0 100.0 1.696 1.696 0.000 13 0 no 0.012 0 0
1 106 ASN QD 184 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.002 0 0
1 107 LEU QB 126 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 107 LEU QD 3 no 100.0 100.0 29.168 29.168 0.000 36 8 no 0.012 0 0
1 108 ARG QB 89 no 100.0 100.0 1.131 1.131 0.000 12 3 no 0.013 0 0
1 108 ARG QD 123 no 100.0 100.0 0.969 0.969 0.000 9 3 no 0.008 0 0
1 108 ARG QG 183 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 109 LEU QB 55 no 100.0 100.0 2.719 2.719 0.000 15 7 no 0.003 0 0
1 109 LEU QD 5 no 0.0 0.0 0.000 0.000 0.000 34 16 no 0.016 0 0
1 110 LEU QB 28 no 100.0 100.0 1.977 1.977 0.000 19 6 no 0.007 0 0
1 110 LEU QD 69 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.014 0 0
1 111 ILE QG 162 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 112 LEU QB 115 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 112 LEU QD 4 no 0.0 0.0 0.000 0.001 0.001 34 16 no 0.066 0 0
1 113 VAL QG 45 no 100.0 0.0 0.000 0.000 0.000 16 6 no 0.004 0 0
1 114 SER QB 212 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 115 ARG QD 223 no 55.0 17.7 0.641 3.623 2.983 1 1 no 0.802 0 3
1 115 ARG QH1 200 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 115 ARG QH2 199 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 116 LEU QB 30 no 100.0 100.0 3.230 3.230 0.000 19 8 no 0.006 0 0
1 116 LEU QD 48 no 100.0 0.0 0.000 0.000 0.000 16 10 no 0.010 0 0
1 117 PHE QB 182 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 117 PHE QE 220 yes 80.0 80.0 13.522 16.908 3.385 2 2 yes 2.263 8 8
1 118 MET QB 161 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 118 MET QG 105 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.027 0 0
1 119 TRP QB 36 no 100.0 100.0 1.044 1.044 0.000 18 7 no 0.007 0 0
1 120 GLU QB 211 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.011 0 0
1 120 GLU QG 148 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.002 0 0
1 121 GLU QB 53 no 100.0 100.0 2.332 2.332 0.000 15 5 no 0.007 0 0
1 121 GLU QG 104 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.006 0 0
1 122 PRO QD 122 no 100.0 100.0 0.317 0.317 0.000 9 3 no 0.000 0 0
1 122 PRO QG 210 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 123 GLU QB 181 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 124 VAL QG 24 no 0.0 0.0 0.000 0.000 0.000 20 6 no 0.023 0 0
1 125 GLN QB 180 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 125 GLN QE 179 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.007 0 0
1 125 GLN QG 32 no 100.0 100.0 2.932 2.932 0.000 18 1 no 0.034 0 0
1 128 LEU QB 93 no 100.0 100.0 1.080 1.080 0.000 11 0 no 0.000 0 0
1 128 LEU QD 125 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 129 LYS QB 83 no 100.0 100.0 1.079 1.079 0.000 12 1 no 0.007 0 0
1 129 LYS QG 40 no 100.0 100.0 1.445 1.445 0.000 17 3 no 0.000 0 0
1 130 LYS QB 160 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 130 LYS QD 178 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.001 0 0
1 130 LYS QG 88 no 100.0 100.0 2.042 2.042 0.000 12 3 no 0.007 0 0
1 131 LEU QB 17 no 100.0 100.0 4.428 4.428 0.000 22 8 no 0.006 0 0
1 131 LEU QD 33 no 100.0 0.0 0.000 0.000 0.000 18 2 no 0.011 0 0
1 132 LYS QB 87 no 100.0 100.0 3.702 3.702 0.000 12 3 no 0.000 0 0
1 132 LYS QD 109 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.000 0 0
1 132 LYS QG 114 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.013 0 0
1 133 GLU QG 13 no 100.0 100.0 1.821 1.821 0.000 24 6 no 0.002 0 0
1 135 GLY QA 177 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.006 0 0
1 136 CYS QB 10 no 100.0 100.0 2.678 2.678 0.000 25 10 no 0.004 0 0
1 137 LYS QB 85 no 100.0 100.0 1.105 1.105 0.000 12 2 no 0.000 0 0
1 137 LYS QG 103 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 138 LEU QB 99 no 100.0 100.0 1.073 1.073 0.000 11 4 no 0.000 0 0
1 138 LEU QD 6 no 100.0 100.0 40.764 40.764 0.000 32 12 no 0.012 0 0
1 139 ARG QB 50 no 100.0 99.9 1.475 1.476 0.001 15 2 no 0.065 0 0
1 139 ARG QD 138 no 100.0 0.0 0.000 0.000 0.000 8 6 no 0.009 0 0
1 139 ARG QG 113 no 100.0 0.0 0.000 0.003 0.003 10 4 no 0.246 0 0
1 140 ILE QG 80 no 100.0 100.0 0.624 0.625 0.000 12 0 no 0.012 0 0
1 142 LYS QB 133 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 142 LYS QG 209 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 143 PRO QB 208 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 143 PRO QD 112 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.070 0 0
1 143 PRO QG 147 no 90.0 100.0 0.117 0.117 0.000 6 0 no 0.000 0 0
1 144 GLN QB 140 no 100.0 100.0 2.243 2.243 0.000 7 0 no 0.019 0 0
1 144 GLN QE 207 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 145 ASP QB 68 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.009 0 0
1 146 PHE QB 176 no 100.0 100.0 1.421 1.421 0.000 4 0 no 0.000 0 0
1 147 GLU QB 175 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.001 0 0
1 148 TYR QB 174 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 149 ILE QG 60 no 100.0 0.0 0.000 0.000 0.000 14 0 no 0.000 0 0
1 150 TRP QB 67 no 100.0 100.0 2.309 2.309 0.000 14 4 no 0.002 0 0
1 151 GLN QB 159 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.006 0 0
1 151 GLN QE 196 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 151 GLN QG 9 no 100.0 100.0 1.706 1.706 0.000 27 4 no 0.005 0 0
1 152 ASN QD 66 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.006 0 0
1 153 PHE QB 59 no 100.0 100.0 2.670 2.670 0.000 14 0 no 0.012 0 0
1 154 VAL QG 12 no 100.0 0.0 0.000 0.000 0.000 24 6 no 0.000 0 0
1 155 GLU QB 71 no 100.0 100.0 0.980 0.980 0.000 14 5 no 0.032 0 0
1 155 GLU QG 75 no 100.0 100.0 0.756 0.756 0.000 13 2 no 0.000 0 0
1 156 GLN QB 146 no 100.0 100.0 2.919 2.919 0.000 6 0 no 0.024 0 0
1 156 GLN QE 95 no 100.0 100.0 0.438 0.438 0.000 11 2 no 0.000 0 0
1 156 GLN QG 38 no 100.0 100.0 1.976 1.976 0.000 17 2 no 0.011 0 0
1 157 GLU QB 206 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 157 GLU QG 132 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.008 0 0
1 158 GLU QG 173 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.004 0 0
1 159 GLY QA 172 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 160 GLU QB 102 no 100.0 100.0 1.405 1.405 0.000 10 0 no 0.028 0 0
1 160 GLU QG 171 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.014 0 0
1 162 LYS QB 101 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.006 0 0
1 162 LYS QG 100 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.066 0 0
1 164 PHE QB 170 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 165 GLU QB 142 no 100.0 100.0 0.923 0.923 0.000 7 4 no 0.000 0 0
1 165 GLU QG 111 no 100.0 100.0 1.451 1.451 0.000 10 4 no 0.000 0 0
1 166 PRO QB 205 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 166 PRO QD 56 no 100.0 100.0 0.817 0.817 0.000 15 8 no 0.000 0 0
1 166 PRO QG 145 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 171 GLN QB 169 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 171 GLN QE 110 no 100.0 100.0 2.616 2.617 0.000 10 4 no 0.054 0 0
1 171 GLN QG 144 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.010 0 0
1 172 GLU QB 204 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 172 GLU QG 168 no 0.0 0.0 0.000 0.000 0.000 4 0 no 0.018 0 0
1 174 PHE QB 167 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.026 0 0
1 175 LEU QB 108 no 100.0 100.0 2.691 2.691 0.000 10 2 no 0.020 0 0
1 175 LEU QD 72 no 100.0 0.0 0.000 0.000 0.000 14 6 no 0.054 0 0
1 177 TYR QB 58 no 100.0 100.0 1.806 1.806 0.000 14 0 no 0.007 0 0
1 178 GLU QB 57 no 100.0 100.0 0.852 0.852 0.000 14 0 no 0.006 0 0
1 178 GLU QG 166 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.018 0 0
1 179 GLU QB 139 no 100.0 100.0 0.474 0.474 0.000 7 0 no 0.004 0 0
1 179 GLU QG 74 no 100.0 100.0 5.542 5.543 0.000 13 2 no 0.057 0 0
1 180 LYS QB 143 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 180 LYS QD 165 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.001 0 0
1 180 LYS QE 131 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.008 0 0
1 180 LYS QG 91 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.007 0 0
1 181 LEU QB 158 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 181 LEU QD 137 no 100.0 0.0 0.000 0.000 0.000 8 6 no 0.000 0 0
1 183 ASP QB 84 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.057 0 0
1 184 ILE QG 121 no 100.0 100.0 1.055 1.055 0.000 9 2 no 0.007 0 0
1 185 LEU QB 98 no 100.0 100.0 1.191 1.191 0.000 11 4 no 0.000 0 0
1 185 LEU QD 37 no 100.0 0.0 0.000 0.000 0.000 18 8 no 0.013 0 0
1 186 LYS QB 124 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.004 0 0
1 186 LYS QG 164 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 188 GLY QA 163 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.015 0 0
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